Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.43 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11547141 | 0.88 | CA12 (0.47) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL9670491 | 0.82 | TDP1 (0.57) | CYP4A11CYP4F2PTPN1MEN1KMT2A | |
| SCHEMBL4128407 | 0.80 | CA12 (0.51) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL11205643 | 0.78 | MEN1 (0.65) | LMNACYP4A11CYP4F2MEN1KMT2A | |
| SCHEMBL28281317 | 0.78 | LMNA (0.51) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL570747 | 0.78 | ESR1 (0.59) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL12199135 | 0.77 | CA1 (0.68) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL11545671 | 0.77 | CA12 (0.42) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL11546683 | 0.77 | MEN1 (0.59) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL10610630 | 0.76 | CA12 (0.58) | CA12CA1CA2ESR1CA7 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4175203-A | TREATMENT OF RENAL FAILURE AND TRANSPLANT REJECTION VASODILATORS | MERCK & CO., INC. (US) | 1979-11-20 | — | — | US | disclosed |
| US-4150235-A | ANTIBODY INHIBITORS, HYPOTENSIVE AGENTS, DIURETICS, VASODILATOR | MERCK & CO., INC. (US) | 1979-04-17 | — | — | US | disclosed |
| US-4140861-A | RENAL DISFUNCTION, ANTIBODY INHIBITORS | MERCK & CO., INC. (US) | 1979-02-20 | — | — | US | disclosed |